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Octyl formate

Octyl formate structure

CAS No:
112-32-3
Formula:
C9H18O2
Chemical Name:
Octyl formate
Synonyms:
Formic acid,octyl ester;Octyl alcohol,formate;Octyl formate;n-Octyl formate;1-Octyl formate;NSC 404473
Categories:
Cosmetic Ingredient > Perfuming

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Description

Liquid

Liquid|colourless liquid with a fruity, rose-orange odour

Octyl formate is a formate ester of octan-1-ol. It has a role as a metabolite. It derives from an octan-1-ol.

Octyl formate Basic Attributes

Molecular Weight：

158.24

Exact Mass：

158.24

EC Number：

203-959-5

UNII：

2XZ47CUU7G

NSC Number：

404473

DSSTox ID：

DTXSID4059417

HScode：

2915120000

Characteristics

PSA：

26.30000

XLogP3：

3.15580

Appearance：

Liquid

Density：

0.975 g/cm³ @ Temp: 20 °C

Melting Point：

-39.1 °C

Boiling Point：

198.8 °C

Flash Point：

171 °F

Refractive Index：

n20/D 1.418(lit.)

Water Solubility：

soluble in most fixed oils, mineral oil, propylene glycol; insoluble in glycerol

Vapor Pressure：

0.339mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36/37/39

RTECS Number：

LQ9290000

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (97.44%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 128 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Octyl formate Use and Manufacturing

Methods of Manufacturing

It is made from n-octanol and formate. From n-octyl chloride and formaldehyde amine azeotrope in the presence of a small amount of hydrochloric acid.

Uses

spices. Mainly used to prepare flavors of peach, apricot, citrus and assorted fruits.

Manufacturing Info：

Formic acid, octyl ester: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:158.24
XLogP3:3.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:158.130679813
Monoisotopic Mass:158.130679813
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Complexity:81.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

1-Octanol

Carbon dioxide

Formic acid

Dimethylformamide

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Guide of Octyl formate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Learn More Other Chemicals

Octyl formate

SDS

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